Record Information
Version1.0
Creation Date2016-05-19 01:40:59 UTC
Update Date2026-08-18 01:47:31 UTC
Accession NumberCHEM004318
Identification
Common NameFonofos
ClassSmall Molecule
Description
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • My Exposome Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
(+-)-O-Ethyl S-phenyl ethylphosphonodithioateChEBI
DyphonateChEBI
Ethylphosphonodithioic acid O-ethyl S-phenyl esterChEBI
(+-)-O-Ethyl S-phenyl ethylphosphonodithioic acidGenerator
Dyphonic acidGenerator
Ethylphosphonodithioate O-ethyl S-phenyl esterGenerator
Ethoxy-ethyl-phenylsulphanyl-sulphanylidene-$l^{5}-phosphaneGenerator
Stauffer N-2790MeSH
DyfonateMeSH
FonofosMeSH
Stauffer N2790MeSH
Stauffer N 2790MeSH
Chemical FormulaC10H15OPS2
Average Molecular Mass246.320 g/mol
Monoisotopic Mass246.030 g/mol
CAS Registry Number944-22-9
IUPAC Nameethyl ethyl(phenylsulfanyl)sulfanylidenephosphinite
Traditional Namedoubledown
SMILESCCOP(=S)(CC)SC1=CC=CC=C1
InChI IdentifierInChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChI KeyKVGLBTYUCJYMND-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassNot Available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Substituents
  • Monocyclic benzene moiety
  • Sulfenyl compound
  • Organothiophosphorus compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organophosphorus compound
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.0024 g/LALOGPS
logP4.94ALOGPS
logP3.59ChemAxon
logS-5ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity67.94 m³·mol⁻¹ChemAxon
Polarizability25.51 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkFonofos
Chemspider IDNot Available
ChEBI ID38689
PubChem Compound ID13676
Kegg Compound IDC18987
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References